%chk=000043240.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043240

0 1
 O    1.895300      -2.032500       1.678500    
 O    1.841500      -1.600200      -1.972300    
 O   -4.903300     -0.3001000      -1.039800    
 N   -3.526500      0.8498000      0.4900000    
 C    1.350700      -2.051200      0.3554000    
 C    2.382400      -1.469900     -0.6470000    
 C   5.0900001E-02  -1.278400      0.3915000    
 C    2.721700     -3.5100002E-02 -0.4216000    
 C   -1.002400      -1.689000     -0.4073000    
 C  -5.7700001E-02 -0.1765000       1.222500    
 C    1.980100      0.9643000      -1.051800    
 C    3.780500      0.3076000      0.4197000    
 C   -2.327700      0.1369000      0.4572000    
 C   -2.200800     -0.9759000     -0.3744000    
 C   -1.256000      0.5366000       1.255700    
 C    2.297100       2.306100     -0.8409000    
 C    4.097400       1.649500      0.6305000    
 C    3.355600       2.648700      3.0000001E-04
 C   -4.700700      0.6019000     -0.2334000    
 C   -5.778000       1.607400      8.7399997E-02
 H    1.138400      -3.098900      0.1090000    
 H    3.303200      -2.065800     -0.6184000    
 H  -0.9119000      -2.553400      -1.058700    
 H   0.7590000      0.1576000       1.855400    
 H    1.146300      0.7324000      -1.708700    
 H    4.365900     -0.4610000      0.9173000    
 H   -2.984500      -1.345200      -1.020900    
 H   -1.340700       1.402100       1.908000    
 H    2.721000      -2.545800       1.659900    
 H    1.674600      -2.545900      -2.126000    
 H    1.718600       3.084400      -1.329900    
 H    4.921200       1.916500       1.285800    
 H    3.601900       3.693500      0.1651000    
 H   -3.539600       1.648200       1.121200    
 H   -6.041600       1.540800       1.146600    
 H   -6.667700       1.402200     -0.5143000    
 H   -5.422900       2.616800     -0.1385000    


%chk=000043240-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043240

0 1
O 1.950149 -2.108406 1.721674
O 1.994377 -1.697395 -2.026383
O -4.947043 -0.206543 -1.086253
N -3.579803 0.853433 0.504095
C 1.394222 -2.095465 0.360147
C 2.462015 -1.511545 -0.646673
C 0.081706 -1.343427 0.403446
C 2.775085 -0.040056 -0.454743
C -0.990247 -1.718206 -0.438964
C -0.094080 -0.237920 1.271446
C 2.060141 0.951373 -1.170303
C 3.775737 0.357416 0.464955
C -2.378396 0.090656 0.430357
C -2.213359 -1.015779 -0.443852
C -1.309560 0.467330 1.289131
C 2.341009 2.319544 -0.963130
C 4.049350 1.726718 0.682102
C 3.331419 2.713035 -0.032982
C -4.768386 0.692821 -0.214115
C -5.850726 1.708747 0.158118
H 1.201272 -3.143542 0.025499
H 3.393543 -2.106467 -0.484449
H -0.883017 -2.583381 -1.105140
H 0.723070 0.049811 1.938300
H 1.302916 0.637635 -1.894109
H 4.351476 -0.400565 1.010305
H -3.036064 -1.308945 -1.097527
H -1.431569 1.318949 1.971657
H 2.844911 -2.535528 1.703510
H 1.681105 -2.630669 -2.143014
H 1.787154 3.078436 -1.527366
H 4.824979 2.022102 1.397713
H 3.548460 3.775460 0.126504
H -3.564645 1.620923 1.180458
H -6.173431 1.579977 1.208121
H -6.718548 1.550134 -0.497727
H -5.493922 2.747838 0.032291


